Molecule

ID:129273

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄O₇
Molecular Mass
328.35756
Exact Mass
328.15220311
Charge
0
InChI
InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3
InChIKey
KLLYDTMVSVIJEH-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(OC(CCc2ccc(cc2)O)C)C(C(C1O)O)O
Isomeric Smiles
CC(CCc1ccc(cc1)O)OC1C(C(C(C(O1)CO)O)O)O
Calculated Properties
JChem
Acid pKa
10.290788
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
0.28129297
LogD (pH = 7.4)
0.2807449
Log P
0.28129998
Molar Refractivity
81.0429
Polarizability
32.510857
Polar Surface Area
119.61
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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